Information card for entry 4073203

Structure parameters

• Common name: [Sc{C5Me4SiMe2(C4H2MeO-2)}(CH2SiMe3)2(THF)]
• Chemical name: [Sc{C5Me4SiMe2(C4H2MeO-2)}(CH2SiMe3)2(THF)]
• Formula: C28 H53 O2 Sc Si3
• Calculated formula: C28 H53 O2 Sc Si3
• SMILES: [Sc]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)[Si](C)(C)c1oc(cc1)C)(C[Si](C)(C)C)(C[Si](C)(C)C)[O]1CCCC1
• Title of publication: Ring-Opening of a Furyl Group Appended to the Cyclopentadienyl Ligand in Rare-Earth Metal Half-Sandwich Complexes
• Authors of publication: Hitzbleck, Julia; Okuda, Jun
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 13
• Pages of publication: 3227
• a: 10.7107 ± 0.0011 Å
• b: 15.9708 ± 0.0016 Å
• c: 20.006 ± 0.002 Å
• α: 90°
• β: 104.203 ± 0.002°
• γ: 90°
• Cell volume: 3317.6 ± 0.6 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No